3-Methyluracil
PubChem CID: 79066
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| Compound Synonyms | 3-Methyluracil, 608-34-4, 3-methylpyrimidine-2,4(1H,3H)-dione, 3-methyl-1H-pyrimidine-2,4-dione, 2,4(1H,3H)-Pyrimidinedione, 3-methyl-, 3-MeU, MFCD00038014, 27942-00-3, NSC 45626, CHEBI:74732, DTXSID30878779, 3-methyl-2,4(1H,3H)-pyrimidinedione, 3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione, Uracil, methyl-, 2,4(1H,3H)-Pyrimidinedione, methyl-, Methyl-2,4(1H,3H)-pyrimidinedione, SCHEMBL40761, SCHEMBL13242249, 2,4-Dihydroxy-3-methylpyrimidine, VPLZGVOSFFCKFC-UHFFFAOYSA-N, DTXCID101016811, NSC45626, 2,3H)-Pyrimidinedione, 3-methyl-, NSC-45626, AKOS002304012, AKOS003348643, FM08041, SB57470, 2-hydroxy-3-methylpyrimidin-4(3H)-one, 3-methylpyrimidine-2,4(1H, 3H)-dione, AS-47233, SY046017, pyrimidine-2,4(1H,3H)-dione, 3-methyl-, CS-0199452, EN300-297986, F12763, 2-hydroxy-3-methyl-4-oxo-3,4-dihydropyrimidine, AC-907/25014072, Q15632765, Z2588063529, InChI=1/C5H6N2O2/c1-7-4(8)2-3-6-5(7)9/h2-3H,1H3,(H,6,9, 622-685-0 |
|---|---|
| Topological Polar Surface Area | 49.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 185.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methyl-1H-pyrimidine-2,4-dione |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -0.8 |
| Is Pains | False |
| Molecular Formula | C5H6N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VPLZGVOSFFCKFC-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Rotatable Bond Count | 0.0 |
| Compound Name | 3-Methyluracil |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 126.043 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 126.043 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 126.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6444463333333332 |
| Inchi | InChI=1S/C5H6N2O2/c1-7-4(8)2-3-6-5(7)9/h2-3H,1H3,(H,6,9) |
| Smiles | CN1C(=O)C=CNC1=O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crinum Asiaticum (Plant) Rel Props:Source_db:cmaup_ingredients